SCHEMBL2823391

SCHEMBL2823391

CC(C)(Oc1ccc(F)cc1F)C(=NC#N)NC1CC2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.38
HSD11B2 P80365 5/20 0.37
EPHX2 P34913 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
GPR6 P46095 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2823390 1.00 HSD11B1 (0.38) HSD11B1HSD11B2EPHX2KMT2ARAB9A
SCHEMBL2823410 0.90 HSD11B1 (0.47) HSD11B1HSD11B2EPHX2KMT2ARAB9A
SCHEMBL2824618 0.90 HSD11B1 (0.47) HSD11B1HSD11B2EPHX2KMT2ARAB9A
SCHEMBL2823970 0.81 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2823974 0.81 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2824476 0.81 NPC1 (0.40) HSD11B1KMT2ARAB9AALDH1A1
SCHEMBL2824480 0.81 NPC1 (0.40) HSD11B1KMT2ARAB9AALDH1A1
SCHEMBL2824721 0.80 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2824714 0.80 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL2823394 0.79 SIGMAR1 (0.38) HSD11B1HSD11B2KMT2ASLC6A3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed